(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydodecan-4-one

C18H38O3Si — CID 10914519

IUPAC(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydodecan-4-one
SMILESCCCCCCCCC(=O)[C@@H](O)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O3Si/c1-8-9-10-11-12-13-14-16(19)17(20)15(2)21-22(6,7)18(3,4)5/h15,17,20H,8-14H2,1-7H3/t15-,17-/m0/s1
InChIKeyDXWIZLQIPDMKCK-RDJZCZTQSA-N
MW330.59 g/mol
LogP5.08
Rot. Bonds11

About (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydodecan-4-one

(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydodecan-4-one (PubChem CID 10914519) has the molecular formula C18H38O3Si and a molecular weight of 330.59 g/mol. Its IUPAC name is (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydodecan-4-one.

Molecular Properties

Compound Name(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydodecan-4-one
PubChem CID10914519
Molecular FormulaC18H38O3Si
Molecular Weight330.59 g/mol
Exact Mass330.26
IUPAC Name(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydodecan-4-one
SMILESCCCCCCCCC(=O)[C@@H](O)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O3Si/c1-8-9-10-11-12-13-14-16(19)17(20)15(2)21-22(6,7)18(3,4)5/h15,17,20H,8-14H2,1-7H3/t15-,17-/m0/s1
InChIKeyDXWIZLQIPDMKCK-RDJZCZTQSA-N
XLogP5.08
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.59
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydodecan-4-one?
The IUPAC name of (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydodecan-4-one (CID 10914519) is (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydodecan-4-one.
What is the SMILES notation for (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydodecan-4-one?
The canonical SMILES for (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydodecan-4-one is CCCCCCCCC(=O)[C@@H](O)[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydodecan-4-one?
The InChIKey is DXWIZLQIPDMKCK-RDJZCZTQSA-N. The full InChI is InChI=1S/C18H38O3Si/c1-8-9-10-11-12-13-14-16(19)17(20)15(2)21-22(6,7)18(3,4)5/h15,17,20H,8-14H2,1-7H3/t15-,17-/m0/s1.
What are the key properties of (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydodecan-4-one?
(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydodecan-4-one has a molecular weight of 330.59 g/mol, XLogP of 5.08, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydodecan-4-one is sourced from PubChem (CID 10914519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).